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Ligand · XTA

XTA · (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid

XTA, (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid (C28 H32 Cl2 N6 O3, 571.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component
XTA
Formula
C28 H32 Cl2 N6 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

XTA in 1 structure; the first of them:

  • 7LCU · X-ray structure of furin bound to bos-318, a small molecule inhibitor · XTA A605 · binds LEU152, HIS194, MET226, LEU227, VAL231, THR232, ASP233, GLU236 and 8 more

Residues it binds most

LEU 1, ASP 1, GLY 1, TRP 1, ALA 1, GLU 1, HIS 1, MET 1, THR 1, TYR 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • EDO · 1,2-ethanediol

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